Molecule

ID:14388

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂S
Molecular Mass
226.2969
Exact Mass
226.05646933
Charge
0
InChI
InChI=1S/C13H10N2S/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2
InChIKey
MKMRZZJJDIBAJF-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1nc2c(s1)cccc2
Isomeric Smiles
c1(c2cc(ccc2)N)nc2c(s1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3039002
LogD (pH = 7.4)
3.3092475
Log P
3.3093162
Molar Refractivity
76.9307
Polarizability
27.10483
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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